ethyl 2-[5-(2-cyanoethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-cyanoethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-(2-cyanoethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-(2-cyanoethylthio)-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-(2-cyanoethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-(2-cyanoethylthio)-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C24H23N2O3S2+ MolecularWeight: 451.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCCC#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SCCC#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H23N2O3S2/c1-3-29-20(27)16-19-21(26-13-10-17(2)11-14-26)24(30-15-7-12-25)31-23(19)22(28)18-8-5-4-6-9-18/h4-6,8-11,13-14H,3,7,15-16H2,1-2H3/q+1